N-[(4S,5S,7R)-5-Hydroxy-8-{[(2S)-1-(Isopropylamino)-3-Methyl-1-Oxo-2-Butanyl]Amino}-2,7-Dimethyl-8-Oxo-4-Octanyl]-5-[Methyl(Methylsulfonyl)Amino]-N'-[(1R)-1-Phenylethyl]Isophthalamide

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Properties Simple | Detailed

Formula C36H55N5O7S
IUPAC Name n3-[(1s,2s,4r)-2-hydroxy-1-isobutyl-5-[[(1s)-1-(isopropylcarbamoyl)-2-methyl-propyl]amino]-4-methyl-5-oxo-pentyl]-5-[methyl(methylsulfonyl)amino]-n1-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
Molecular Mass 701.916 g·mol−1
Heat of Formation -1443.6 ± 16.7 kJ·mol−1
Dipole Moment 5.23 ± 1.08 D
Volume 894.24 Å 3
Surface Area 651.24 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 23i
  • n'-[(1s,2s,4r)-2-hydroxy-1-isobutyl-5-[[(1s)-1-(isopropylcarbamoyl)-2-methyl-propyl]amino]-5-keto-4-methyl-pentyl]-5-(mesyl-methyl-amino)-n-[(1r)-1-phenylethyl]isophthalamide
  • n'-[(4s,5s,7r)-5-hydroxy-2,7-dimethyl-8-[[(2s)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]-8-oxo-octan-4-yl]-5-(methyl-methylsulfonyl-amino)-n-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
InChIKey BJOCXJJVELLFKM-LLWRDSBASA-N
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